CID 10797134

5-(thiophen-2-yl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C6H6N4S
SMILES
C1=CSC(=C1)C2=NC(=NN2)N
InChI
InChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKey
XMLRXJVRTGHHIJ-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

166.03131 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.038586 129.1
[M+Na]+ 189.020528 140.9
[M-H]- 165.024034 132.2
[M+NH4]+ 184.065133 149.2
[M+K]+ 204.994468 137.2
[M+H-H2O]+ 149.028570 122.1
[M+HCOO]- 211.029511 149.4
[M+CH3COO]- 225.045161 143.3
[M+Na-2H]- 187.005976 132.0
[M]+ 166.03076142 129.5
[M]- 166.03185858 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe